Structure Database (LMSD)

O OH
Common Name
Isobehenic acid
Systematic Name
20-methyl-heneicosanoic acid
Synonyms
  • 20-methyl-henicosanoic acid
LM ID
LMFA01020019
Formula
C22H44O2
Exact Mass
Calculate m/z
340.33413
Sum Composition
FA 22:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
HJVKLVGLKNGYGQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H44O2/c1-21(2)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22(23)24/h21H,3-20H2,1-2H3,(H,23,24)
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)O)CCCCCC(C)C

References

Other Databases

CHEBI ID
84901
LIPIDBANK ID
DFA0244
PubChem CID
5282603

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 404.10
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.75
Molar Refractivity 105.58

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Updated at
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